D021-0091 Screening compound: 10-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0091 Screening compound: 10-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0091 Screening compound: 10-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D021-0091
10-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D021-0091

Molecular Formula

C20H13N5O4 (C20 H13 N5 O4)

Compound Name

10-methyl-1-(2-methyl-5-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

IUPAC name

11-methyl-7-(2-methyl-5-nitrophenyl)-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

Cc(ccc([N+]([O-])=O)c1)c1N(C(C(C#N)=C1)=O)C(N=C2N3C=CC=C2C)=C1C3=O

InChI

InChI=1S/C20H13N5O4/c1-11-5-6-14(25(28)29)9-16(11)24-18-15(8-13(10-21)19(24)26)20(27)23-7-3-4-12(2)17(23)22-18/h3-9H,1-2H3

InChI Key

NPFCSGRPBXSLDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.53

Polar Surface Area

89.120

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D021-0091 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D021-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0091?
Check Price and Availability of D021-0091, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D021-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0091
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D021-0091 available by request